Geometry & MOs

Info

ID:	295592
PubChem CID:	117535777
Reduced:	ClO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-1.09
Dipole, Da:	7.17
IP(EA), eV:	-9.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-(2,5-dimethoxy-4-methylphenyl)propan-2-one

Drug info:

PubChemData

Smile

CN1N=C(N=N1)C(CC(=O)O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations